1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine

C16H28N2S — CID 65296493

IUPAC1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
SMILESCC(N)CCCC(C)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H28N2S/c1-13(4-3-5-14(2)17)10-18(16-6-7-16)11-15-8-9-19-12-15/h8-9,12-14,16H,3-7,10-11,17H2,1-2H3
InChIKeyLKTNXBUHVQOYCQ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.87
Rot. Bonds9

About 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine

1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine (PubChem CID 65296493) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
PubChem CID65296493
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
SMILESCC(N)CCCC(C)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H28N2S/c1-13(4-3-5-14(2)17)10-18(16-6-7-16)11-15-8-9-19-12-15/h8-9,12-14,16H,3-7,10-11,17H2,1-2H3
InChIKeyLKTNXBUHVQOYCQ-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine
CID 65296045
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713468
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556384

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine?
The IUPAC name of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine (CID 65296493) is 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine is CC(N)CCCC(C)CN(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine?
The InChIKey is LKTNXBUHVQOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(4-3-5-14(2)17)10-18(16-6-7-16)11-15-8-9-19-12-15/h8-9,12-14,16H,3-7,10-11,17H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine?
1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine is sourced from PubChem (CID 65296493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).